methyl 2-[3-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-5-oxidanylidene-1,2,4-triazol-1-yl]propanoate

Systemtic Name: methyl 2-[3-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-5-oxidanylidene-1,2,4-triazol-1-yl]propanoate Openeye Name: methyl 2-[3-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]propanoate CAS Name: 2-[3-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]propanoic acid methyl ester IUPAC Name: methyl 2-[3-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]propanoate Traditional Name: 2-[3-butyl-4-[4-(2-cyanophenyl)benzyl]-5-keto-1,2,4-triazol-1-yl]propionic acid methyl ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(C)C(=O)OC

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(C)C(=O)OC

InChI

InChI=1S/C24H26N4O3/c1-4-5-10-22-26-28(17(2)23(29)31-3)24(30)27(22)16-18-11-13-19(14-12-18)21-9-7-6-8-20(21)15-25/h6-9,11-14,17H,4-5,10,16H2,1-3H3